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3-Methyl-4-pentenoic acid - 97%, high purity , CAS No.1879-03-4

COA

Grade & Purity:

≥97%

Cas Number: 1879-03-4
Molecular Weight: 114.14
PubChem CID: 3456032

In stock

Item Number

M168161

Grouped product items
SKU	Size	Availability	Price	Qty
M168161-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$13.90
M168161-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$41.90

Discover 3-Methyl-4-pentenoic acid by Aladdin Scientific in 97% for only $13.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	3-methyl-4-pentenoic acid \| 3-methyl-pent-4-enoic acid \| 3-methylpent-4-enoic acid \| LMFA01020113 \| BS-52998 \| 3-methylpent-4-enoicacid \| 3-METHYL-4-PENTENOIC ACID 97 \| DTXSID90392643 \| SCHEMBL614363 \| 4-Pentenoic acid, 3-methyl- \| FT-0758655 \| 3-Methyl-
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal
Product Description	3-Methyl-4-pentenoic acid can be synthesized from crotyl acetate via Claisen rearrangement. Application： 3-Methyl-4-pentenoic acid may be used to synthesize: trans- and cis-5-phenylseleno-3-methyl-4-pentanolides trans- and cis-5-iodo-3-methyl-4-pentanolides 3-methyl-4-pentene-1-ol

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Fatty Acyls
    - Subclass Fatty acids and conjugates
      - Level5 Branched fatty acids
        Level6 Methyl-branched fatty acids

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acids and conjugates
Intermediate Tree Nodes	Branched fatty acids
Direct Parent	Methyl-branched fatty acids
Alternative Parents	Unsaturated fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Methyl-branched fatty acid - Unsaturated fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as methyl-branched fatty acids. These are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present.
External Descriptors	Branched fatty acids
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	3-methylpent-4-enoic acid
INCHI	InChI=1S/C6H10O2/c1-3-5(2)4-6(7)8/h3,5H,1,4H2,2H3,(H,7,8)
InChIKey	QNPZXLANENFTFK-UHFFFAOYSA-N
Smiles	CC(CC(=O)O)C=C
Isomeric SMILES	CC(CC(=O)O)C=C
WGK Germany	3
Molecular Weight	114.14
Reaxy-Rn	1743617
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1743617&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Flash Point(°F)	199.4 °F
Flash Point(°C)	93 °C
Molecular Weight	114.140 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	114.068 Da
Monoisotopic Mass	114.068 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	96.700
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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